SCHEMBL517425

SCHEMBL517425

C=CP(=O)(C=C)c1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
CHEK1 O14757 8/20 0.44
SIRT6 Q8N6T7 1/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
PRKDC P78527 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1491795 0.81 ALDH1A1 (0.54) ALDH1A1TDP1LMNACHEK1SIRT6
SCHEMBL518060 0.80 ALDH1A1 (0.50) ALDH1A1TDP1LMNACHEK1SIRT6
SCHEMBL3888534 0.80 ALDH1A1 (0.50) ALDH1A1TDP1LMNACHEK1SIRT6
Hydrochloric Acid SCHEMBL29212494 0.79 ALDH1A1 (0.49) ALDH1A1TDP1LMNACHEK1SIRT6
SCHEMBL11224598 0.76 CHEK1 (0.61) ALDH1A1TDP1LMNACHEK1SIRT6
SCHEMBL1491791 0.75 NPSR1 (0.46) ALDH1A1TDP1LMNACHEK1SIRT6
SCHEMBL30184584 0.75 ALDH1A1 (0.48) ALDH1A1TDP1LMNACHEK1SIRT6
SCHEMBL309988 0.75 TRPA1 (0.53) ALDH1A1TDP1LMNASIRT6MAPT
SCHEMBL11916219 0.74 ALDH1A1 (0.44) ALDH1A1TDP1LMNACHEK1SIRT6
SCHEMBL517700 0.73 ALDH1A1 (0.43) ALDH1A1TDP1LMNACHEK1SIRT6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 US disclosed
CN-117813295-A Compounds targeting p53 mutants 北京加科思新药研发有限公司 2024-04-02 CN disclosed
US-20230066011-A1 PYRROLOPYRIMIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO CO., LTD. (KR) 2023-03-02 US disclosed
EP-3915991-A1 PYRROLOPYRIMIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT Voronoi Co., Ltd. (KR) 2021-12-01 EP disclosed
CN-113614086-A Pyrrolopyrimidine derivative and pharmaceutical composition for preventing or treating protein kinase-associated diseases comprising the same as active ingredient 沃若诺伊公司 2021-11-05 CN disclosed
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 US disclosed
WO-2020149723-A1 PYRROLOPYRIMIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 보로노이 2020-07-23 WO disclosed
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 US disclosed
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
EP-2300013-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-03-30 EP disclosed
WO-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
WO-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 ALDH1A1 214/4885TDP1 1289/4885LMNA 1889/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 ALDH1A1 4596/4885TDP1 2231/4885LMNA 3860/4885
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 ALDH1A1 2527/4885TDP1 412/4885LMNA 922/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALDH1A1 4677/4885TDP1 2392/4885LMNA 4121/4885
US-20230066011-A1 PYRROLOPYRIMIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT LRRK2, BRCA1, PARK7 ALDH1A1 3814/4885TDP1 196/4885LMNA 2800/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALDH1A1 4677/4885TDP1 2392/4885LMNA 4121/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 ALDH1A1 3173/4885TDP1 2201/4885LMNA 4181/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.